Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 15/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2361234 | 0.84 | PTGES (0.45) | PTGESCYP2C9CYP2D6DGAT1 | |
| SCHEMBL14146990 | 0.83 | PTGES (0.42) | PTGESCYP2C9DGAT1 | |
| SCHEMBL12446417 | 0.83 | NPBWR1 (0.46) | PTGESPTGS1DGAT1 | |
| SCHEMBL2361014 | 0.77 | PTGES (0.43) | PTGESCYP2C9CYP2D6JAK2DGAT1 | |
| SCHEMBL2361475 | 0.77 | DGAT1 (0.43) | PTGESCYP2C9CYP2D6PTGS1DGAT1 | |
| SCHEMBL3796104 | 0.77 | PTGES (0.48) | PTGESJAK2 | |
| SCHEMBL2361250 | 0.76 | AMY1A (0.43) | PTGESCYP2C9CYP2D6JAK2DGAT1 | |
| SCHEMBL2360765 | 0.75 | NPBWR1 (0.48) | PTGESPTGS1DGAT1 | |
| SCHEMBL2361558 | 0.75 | PTGES (0.53) | PTGESCYP2C9CYP2D6JAK2DGAT1 | |
| SCHEMBL29662800 | 0.75 | PTGES (0.43) | PTGESCYP2C9JAK2MAPK14 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011099832-A2 | NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CRYSTALGENOMICS, INC. (KR) | 2011-08-18 | — | — | WO | disclosed |
| WO-2011099832-A2 | NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CRYSTALGENOMICS, INC. (KR) | 2011-08-18 | — | — | WO | disclosed |